Dataset

Scoparone; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR303603 contains the MS2 mass spectrum of Scoparone with the InChIkey GUAFOGOEJLSQBT-UHFFFAOYSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3
SMILES	COC1=C(OC)C=C2C=CC(=O)OC2=C1
InChI Key	GUAFOGOEJLSQBT-UHFFFAOYSA-N
Molecular Formula	C11H10O4
Exact Mass	206.197 g/mol

Data and Resources

ScoparoneHTML

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Related Molecule ⌄

6,7-dimethoxychromen-2-one

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR303603
Version
Author
Maintainer
Language
MetadataPublished	2019-03-28
Related Molecule	6,7-dimethoxychromen-2-one

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEBI:9055	chebi
CHEMBL325864	chembl
240777	surechembl
29714063	surechembl
8417	pubchem
H5841PDT4Y	fdasrs
PD044382	probes_and_drugs
POBZEO	CCDC
97143	brenda
HMDB0030818	hmdb
DTXSID10152640	comptox
Molport-000-881-854	molport
50361374	bindingdb
The data in this table is sourced from UniChem at EBI.